Iodine in PDB 1xzx: Thyroxine-Thyroid Hormone Receptor Interactions

The structure of Thyroxine-Thyroid Hormone Receptor Interactions, PDB code: 1xzx was solved by B.Sandler, P.Webb, J.W.Apriletti, B.R.Huber, M.Togashi, S.T.Cunha Lima, S.Juric, S.Nilsson, R.Wagner, R.J.Fletterick, J.D.Baxter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.764, 68.764, 130.943, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 24.4

The structure of Thyroxine-Thyroid Hormone Receptor Interactions also contains other interesting chemical elements:

Arsenic

(As)

6 atoms

The binding sites of Iodine atom in the Thyroxine-Thyroid Hormone Receptor Interactions (pdb code 1xzx). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Thyroxine-Thyroid Hormone Receptor Interactions, PDB code: 1xzx:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:I500 b:49.6 occ:1.00 I1 X:T3500 0.0 49.6 1.0 C5 X:T3500 2.1 51.2 1.0 C3 X:T3500 3.1 47.4 1.0 C7 X:T3500 3.1 41.0 1.0 O2 X:T3500 3.2 36.1 1.0 O X:PHE272 3.2 50.7 1.0 C2 X:T3500 3.6 41.7 1.0 CG1 X:ILE275 3.6 56.6 1.0 C4 X:T3500 3.8 37.8 1.0 CB X:PHE272 3.9 50.9 1.0 C X:PHE272 4.0 51.1 1.0 CA X:PHE272 4.0 51.2 1.0 CB X:ILE276 4.0 48.3 1.0 CD1 X:ILE275 4.1 55.7 1.0 CA X:ILE276 4.1 48.7 1.0 N X:ILE276 4.1 51.9 1.0 CG1 X:ILE276 4.3 47.1 1.0 C12 X:T3500 4.3 44.0 1.0 CD1 X:LEU330 4.4 49.4 1.0 C1 X:T3500 4.4 47.5 1.0 CD1 X:ILE276 4.4 47.7 1.0 C X:ILE275 4.5 54.1 1.0 C9 X:T3500 4.5 49.5 1.0 CG X:PHE272 4.7 46.2 1.0 CB X:LEU330 4.8 48.0 1.0 O X:ILE275 4.8 54.9 1.0 CB X:ILE275 4.8 56.4 1.0 C6 X:T3500 4.9 49.6 1.0 CD2 X:PHE272 4.9 44.6 1.0 C11 X:T3500 5.0 48.2 1.0

Iodine binding site 2 out of 3 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:I500 b:52.4 occ:1.00 I2 X:T3500 0.0 52.4 1.0 C6 X:T3500 2.1 49.6 1.0 C8 X:T3500 3.0 37.7 1.0 O1 X:T3500 3.1 38.4 1.0 C4 X:T3500 3.1 37.8 1.0 CD2 X:LEU346 4.0 40.0 1.0 O X:GLY344 4.0 42.1 1.0 CD1 X:PHE269 4.0 47.0 1.0 SD X:MET442 4.1 52.4 1.0 CE1 X:PHE269 4.1 45.0 1.0 CD1 X:PHE272 4.3 45.0 1.0 C10 X:T3500 4.3 42.2 1.0 CG X:LEU346 4.3 39.8 1.0 C2 X:T3500 4.4 41.7 1.0 CB X:PHE272 4.4 50.9 1.0 CA X:GLY345 4.5 41.4 1.0 CE X:MET442 4.6 50.9 1.0 C X:GLY345 4.7 41.9 1.0 C X:GLY344 4.7 41.5 1.0 N X:LEU346 4.8 39.9 1.0 C12 X:T3500 4.8 44.0 1.0 CG X:PHE272 4.8 46.2 1.0 N X:GLY345 4.9 41.5 1.0 CZ X:PHE455 4.9 58.9 1.0

Iodine binding site 3 out of 3 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:I500 b:51.7 occ:1.00 I3 X:T3500 0.0 51.7 1.0 C9 X:T3500 2.1 49.5 1.0 C11 X:T3500 3.1 48.2 1.0 C7 X:T3500 3.1 41.0 1.0 O2 X:T3500 3.3 36.1 1.0 CD1 X:ILE353 3.3 28.1 1.0 CE X:MET310 3.8 42.8 1.0 C2 X:T3500 3.9 41.7 1.0 C12 X:T3500 4.0 44.0 1.0 CD1 X:LEU346 4.1 45.2 1.0 CB X:ALA317 4.1 36.5 1.0 OG X:SER314 4.3 48.3 1.0 CD2 X:LEU330 4.3 50.4 1.0 CA X:SER314 4.4 35.5 1.0 C1 X:T3500 4.4 47.5 1.0 C5 X:T3500 4.5 51.2 1.0 CD2 X:LEU341 4.5 42.2 1.0 O X:MET313 4.6 36.5 1.0 N X:SER314 4.7 35.2 1.0 C X:MET313 4.8 36.3 1.0 SD X:MET310 4.8 43.9 1.0 CG2 X:ILE353 4.8 38.4 1.0 CG1 X:ILE353 4.9 32.0 1.0 CD1 X:LEU341 4.9 42.5 1.0 C4 X:T3500 4.9 37.8 1.0 C3 X:T3500 5.0 47.4 1.0

B.Sandler, P.Webb, J.W.Apriletti, B.R.Huber, M.Togashi, S.T.Cunha Lima, S.Juric, S.Nilsson, R.Wagner, R.J.Fletterick, J.D.Baxter. Thyroxine-Thyroid Hormone Receptor Interactions. J.Biol.Chem. V. 279 55801 2004.
ISSN: ISSN 0021-9258
PubMed: 15466465
DOI: 10.1074/JBC.M410124200